Potential energy curves and spectroscopic properties of X2∑ and A2П states of 13C14N

The potential energy curves(PECs) of X2+Σand A2Π states of the CN molecule have been calculated with the multireference configuration interaction method and the aug-cc-pwCV5Z basis set. Based on the PECs, all of the vibrational and rotational levels of the13C14N molecule are obtained by solving the Schro¨dinger equation of the molecular nuclear motion.The spectroscopic parameters are determined by fitting the Dunham coefficients with the levels. Both the levels and the spectroscopic parameters are in good qualitative agreement with the experimental data available. The analytical potential energy functions are also deduced from the calculated PECs. The present results can provide a helpful reference for future spectroscopy experiments or dynamical calculations of the molecule.     

Inconsistence of Non-Singular Spherically Symmetric Solution and a Satisfactory Energy-Momentum Complex

Two spherically symmetric non-singular black hole solutions in Moiler tetrad theory of gravitation have been obtained. Although the two solutions have the same form of metric （spherically symmetric nonsingular black hole）, their energy contents are different. We use another method given by Gibbons and Hawking to calculate the energy content of these solutions. We also obtained different value of energy. Study the requirements of a satisfactory energymomentum complex given by Moiler we find that the second solution, which behaves as 1/√r, is not transformed as a four-vector under Lorentz transformation.     

Transport properties of a binary mixture of CO2-N2 from the pair potential energy functions based on a semi-empirical inversion method

The potential energy snrface of a CO2-N2 mixture is determined by using an inversion method, together with a new collision integral correlation [J. Phys. Chem. R@ Data 19 1179 （1990）]. With the new invert potential, the transport properties of CO2-N2 mixture are presented in a temperature range front 273.15 K to 3273.15 K at low density by employing the Chapman-Enskog scheme and the Wang Chang-Uhlenbeck de Boer theory, consisting of a viscosity coefficient, a thermal conductivity coefficient, a binary diffusion coefficient, and a thermal diffusion factor. The accuracy of the predicted results is estimated to be 2% for viscosity, 5% for thermal conductivity, and 10% for binary diffusion coefficient.     

Characterization and luminescence of Eu/Sm-coactivated CaYAl3O7 phosphor synthesized by using a combustion method

A novel red-emitting phosphor, CaYAl3O7 : Eu 3+ , Sm3+ , is synthesized by a combustion method at a low temperature (850℃), and the single phase of CaYAl3O7 is confirmed by powder X-ray diffraction measurements. The photoluminescence property results reveal that the red emission intensity of Eu3+ is strongly dependent on the Sm3+ concentration. Only the Eu 3+ luminescence is detected in the Eu 3+ -Sm3+ co-doped CaYAl3O7 phosphor with 393 nm excitation. However, under the characteristic excitation (402 nm) of Sm3+ , not only the Sm3+ emission but also the Eu 3+ emission are observed. A possible mechanism of the energy transfer between Sm3+ and Eu 3+ is investigated in detail.     

Energy Level of Three-Mode Harmonic Oscillator for Coordinate Operators Satisfying Cyclic Commutative Relations Obtained by IEO Method

Eigenvalue-solution to those Hamiltonians involving non-commutative coordinates is not easily obtained. In this paper we apply the invariant eigen-operator （IEO） method to solving the energy spectrmn of the three-mode harmonic oscillator in non-commutative space with the coordinate operators satisfying cyclic commutative relations, [X1, X2] = [X2, X3]=[X3, X1] = iθ, and this method seems effective and concise.     

Deriving Energy-Gap of Some Nonlinear Hamiltonians by Invariant Eigen-operator Method

By virtue of the invariant eigen-operator method we search for the invariant eigen-operators for some Hamiltonians describing nonlinear processes in particle physics. In this way the energy-gap of the Hamiltonians can be naturally obtained. The characteristic polynomial theory has been fully employed in our derivation.     

Effects of annealing temperature on the electrical property and microstructure of aluminum contact on n-type 3C–SiC

The 3C-SiC thin films used herein are grown on Si substrates by chemical vapor deposition. A1 contacts with differ- ent thickness values are deposited on the 3C-SiC/Si （100） structure by the magnetron sputtering method and are annealed at different temperatures. We focus on the effects of the annealing temperature on the ohmic contact properties and mi- crostructure of A1/3C-SiC structure. The electrical properties of A1 contacts to n-type 3C-SiC are characterized by the transmission line method. The crystal structures and chemical phases of A1 contacts are examined by X-ray diffraction, Raman spectra, and transmission electron microscopy, respectively. It is found that the A1 contacts exhibit ohmic contact behaviors when the annealing temperature is below 550 ℃, and they become Schottky contacts when the annealing tem- perature is above 650 ℃. A minimum specific contact resistance of 1.8 × 10-4 Ω cm2 is obtained when the A1 contact is annealed at 250 ℃.     

Dynamic surface wettability of three-dimensional graphene foam

In this work, three-dimensional graphene foams （GFs） are synthesized and characterized by scanning electron micro- scope （SEM） and Raman spectroscopy. The SEM images indicate that after the growth of graphene, the graphene covers the surface of nickel （Ni） foam uniformly. Raman spectra show that the percentages of monolayer, bilayer, trilayer, and multilayer graphenes are - 58%, - 32%, - 8%, and ,.o 2%, respectively. The contact angle （CA） （-- 12°） of water droplet （3 p-L） on GF is found to be larger than that on Ni foam （,- 107°）, indicating that graphenes have changed the surface wettability of the Ni foam. Meanwhile, the dynamic characteristics of CA of water droplet on GF are different from those on Ni foam. The mechanisms for different behaviors are discussed, which are attributed to volatilization and seepage of water droplets.     

A high order energy preserving scheme for the strongly coupled nonlinear Schrōdinger system

A high order energy preserving scheme for a strongly coupled nonlinear Schrōdinger system is roposed by using the average vector field method. The high order energy preserving scheme is applied to simulate the soliton evolution of the strongly coupled Schrōdinger system. Numerical results show that the high order energy preserving scheme can well simulate the soliton evolution, moreover, it preserves the discrete energy of the strongly coupled nonlinear Schrōdinger system exactly.     

A1/Ti/4H-SiC Schottky barrier diodes with inhomogeneous barrier heights

This paper investigates the current-voltage （I-V） characteristics of Al/Ti/4H-SiC Schottky barrier diodes （SBDs） in the temperature range of 77 K-500 K, which shows that Al/Ti/4H SiC SBDs have good rectifying behaviour. An abnormal behaviour, in which the zero bias barrier height decreases while the ideality factor increases with decreasing temperature （T）, has been successfully interpreted by using thermionic emission theory with Gaussian distribution of the barrier heights due to the inhomogeneous barrier height at the A1/Ti/4H-SiC interface. The effective Richardson constant A＊ = 154 A/cm2 . K2 is determined by means of a modified Richardson plot In（I0/T2） - （qσ）2/2（κT）2 versus q/kT, which is very close to the theoretical value 146 A/cm2 · K2.     

Study on gamma response function of E J301 organic liquid scintillator with GEANT4 and FLUKA

The gamma response function is required for energy calibration of EJ301 （5 cm in diameter and 20 cm in height） organic liquid scintillator detector by means of gamma sources. The GEANT4 and FLUKA Monte Carlo simulation packages were used to simulate the response function of the detector for standard 22Na, 60Co, 137Cs gamma sources. The simulated results showed a good agreement with experimental data by incorporating the energy resolution function to simulation codes. The energy resolution and the position of the maximum Compton electron energy were obtained by comparing measured light output distribution with simulated one. The energy resolution of the detector varied from 21.2% to 12.4% for electrons in the energy region from 0.341 MeV to 1.12 MeV. The accurate position of the maximum Compton electron energy was determined at the position 81% of maximum height of Compton edges distribution. In addition, the relation of the electron energy calibration and the effective neutron detection thresholds were described in detail. The present results indicated that both packages were suited for studying the gamma response function of EJ301 detector.     

Rotational analysis and line intensities of the HCO B^2A＇-X^2A＇31^1 band at 296 K

This paper computes the rotational energy levels of the HCO B^2A＇-X^2A＇31^1 transition, especially, the higher values of the rotational quantum numbers NKa Kc and Ka, with the rotational constants which are obtained via B3LYP method with 6-311G basis set, and the results show that the calculated frequencies using the computed vibration-rotation energy levels are in reasonable agreement with the data from the experiment. Meanwhile, the line intensities of HCO are first reported, the results are of significance for the studying HCO.     

A new gaseous detector — micro mesh gaseous structure

The structure and working principle of Micromegas （MICRO Mesh Gaseous Structure） is discussed. Some radiation sources of α and X rays are used to test this detector. The optimized electric-field intensity of the conversion gap is obtained. The transmission of electrons and the uniformity of the amplification gap are also presented. The energy resolution of the 5.9 keV peak is better than 27%.     

Size Effect of a Negatively Charged Exciton in a Two-Dimensional Quantum Dot

In this paper we study a negatively charged exciton （NCE）, which is trapped by a two-dimensional （2D） parabolic potential. By using matrix diagonalization techniques, the correlation energies of the low-lying states with L=0, 1, and 2 are calculated as a function of confinement strength. We find that the size effects of different states are different. This phenomenon can be explained as a hidden symmetry, which is originated purely from symmetry. Based on symmetry, the features of the low-lying states are discussed in the influence of the 2D parabolic potential well. It is found that the confinement may cause accidental degeneracies between levels with different low-excited states. It is shown that the effect of quantum confinement on the binding energy of the heavy hole is stronger than that of a light hole.     

A double toroidal analyzer for scanning probe electron energy spectrometer

An ultra-high vacuum(UHV) compatible electron spectrometer employing a double toroidal analyzer has been developed. It is designed to be combined with a custom-made scanning tunneling microscope(STM) to study the spatially localized electron energy spectrum on a surface. A tip–sample system composed of a piezo-driven field-emission tungsten tip and a sample of highly ordered pyrolytic graphite(HOPG) is employed to test the performance of the spectrometer.Two-dimensional images of the energy-resolved and angle-dispersed electrons backscattered from the surface of HOPG are obtained, the performance is optimized and the spectrometer is calibrated. A complete electron energy loss spectrum covering the elastic peak to the secondary electron peaks for the HOPG surface, acquired at a tip voltage of-140 V and a sample current of 0.5 pA, is presented, demonstrating the viability of the spectrometer.     

Energy Spectrum,g Factors,Strain-Induced Level-Splittings and R-Line Thermal Shift of MgO：V^2＋＋

Traditional ligand-field theory has to be improved by taking into account both pure electronic contribution and electron-phonon interaction one （including lattice-vibrational relaxation energy）. By means of improved ligand-field theory, the R line, t^322T1 and t^322T2 lines, t^22（^3T1）e^4T2, t^22（^3T1）e^4T1 and t2e^2（^4A2）4T1 bands, g factors of t^32 ^4A2 and t32E, four strain-induced level-splittings and R-line thermal shift of MgO：V^2＋ have been calculated. The results are in very good agreement with the experimental data. It is found that for MgO：V^2＋, the contributions due to electronphonon interaction （EPI） come from the first-order term; the contributions from the second-order and higher terms are insignificant. In thermal shift of R line of MgO：V^2＋, the temperature-dependent contribution due to EPI is dominant. The results obtained in this work may be used in theoretical calculations of other effects of EPI.     

Studies of dE/dx measurements with the BESⅢ

The Beijing Spectrometer Ⅲ（BESⅢ）is a general-purpose detector used for the study of τ-charm physics at the Beijing Electron-Positron Collider Ⅱ（BEPC Ⅱ）.This paper presents our studies of the dE/dx measurement in the drift chamber of BESⅢ,which is important for the identification of charged particles.Corrections applied to the dE/dx measurement in data reconstruction are discussed.After our current dE/dx calibration,a resolution of about 6% has been obtained for minimum ionization particles,and a 3σ K/πseparation is obtained for momenta up to 760 MeV/c.These results meet the design goals of the BESⅢ drift chamber.     

Measurement of the friction coefficient of a fluctuating contact line using an AFM-based dual-mode mechanical resonator

A dual-mode mechanical resonator using an atomic force microscope （AFM） as a force sensor is developed. The resonator consists of a long vertical glass fiber with one end glued onto a rectangular cantilever beam and the other end immersed through a liquid-air interface. By measuring the resonant spectrum of the modified AFM cantilever, one is able to accurately determine the longitudinal friction coefficient ξv along the fiber axis associated with the vertical oscillation of the hanging fiber and the traversal friction coefficient ξh perpendicular to the fiber axis associated with the horizontal swing of the fiber around its joint with the cantilever. The technique is tested by measurement of the friction coefficient of a fluctuating （and slipping） contact line between the glass fiber and the liquid interface. The experiment verifies the theory and demonstrates its applications. The dual-mode mechanical resonator provides a powerful tool for the study of the contact line dynamics and the rheological property of anisotropic fluids.     

Frequency in Middle of Magnon Band Gap in a Layered Ferromagnetic Superlattice

The frequency in middle of magnon energy band in a five-layer ferromagnetic superlattice is studied by using the linear spin-wave approach and Green＇s function technique. It is found that four energy gaps and corresponding four frequencie in middle of energy gaps exist in the magnon band along Kx direction perpendicular to the superlattice plane. The spin quantum numbers and the interlayer exchange couplings all affect the four frequencies in middle of the energy gaps. When all interlayer exchange couplings are same, the effect of spin quantum numbers on the frequency wg1 in middle of the energy gap Δw12 is complicated, and the frequency wg1 depends on the match of spin quantum numbers in each layer. Meanwhile, the frequencies wg2, wg3, and wg4 in middle of other energy gaps increase monotonously with increasing spin quantum numbers. When the spin quantum numbers in each layer are same, the frequencies wg1, wg2, wg3, and wg4 all increase monotonously with increasing interlayer exchange couplings.     

Corrections on energy spectrum and scatterings for fast neutron radiography at NECTAR facility

Distortions caused by the neutron spectrum and scattered neutrons are major problems in fast neutron radiography and should be considered for improving the image quality. This paper puts emphasis on the removal of these image distortions and deviations for fast neutron radiography performed at the NECTAR facility of the research reactor FRM-II in Technische Universit/it Mfinchen （TUM）, Germany. The NECTAR energy spectrum is analyzed and established to modify the influence caused by the neutron spectrum, and the Point Scattered Function （PSeF） simulated by the Monte-Carlo program MCNPX is used to evaluate scattering effects from the object and improve image quality. Good analysis results prove the sound effects of the above two corrections.